2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine

C24H21N3O4S — CID 170785489

IUPAC2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccnc(N5C[C@H]6C[C@@H]5CO6)c4)c3o2)cc1
InChIInChI=1S/C24H21N3O4S/c1-32(28,29)19-4-2-15(3-5-19)22-12-21-24(31-22)20(7-9-25-21)16-6-8-26-23(10-16)27-13-18-11-17(27)14-30-18/h2-10,12,17-18H,11,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyWYCXNAVKAWPMOO-QZTJIDSGSA-N
MW447.52 g/mol
LogP3.94
Rot. Bonds4

About 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine

2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine (PubChem CID 170785489) has the molecular formula C24H21N3O4S and a molecular weight of 447.52 g/mol. Its IUPAC name is 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
PubChem CID170785489
Molecular FormulaC24H21N3O4S
Molecular Weight447.52 g/mol
Exact Mass447.13
IUPAC Name2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine
SMILESCS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccnc(N5C[C@H]6C[C@@H]5CO6)c4)c3o2)cc1
InChIInChI=1S/C24H21N3O4S/c1-32(28,29)19-4-2-15(3-5-19)22-12-21-24(31-22)20(7-9-25-21)16-6-8-26-23(10-16)27-13-18-11-17(27)14-30-18/h2-10,12,17-18H,11,13-14H2,1H3/t17-,18-/m1/s1
InChIKeyWYCXNAVKAWPMOO-QZTJIDSGSA-N
XLogP3.94
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine with MolForge

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Related Compounds

2-[1-[4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]piperidin-4-yl]propan-2-ol
CID 170785472
7-(2-methoxy-4-pyridinyl)-2-(4-methylsulfonylphenyl)furo[3,2-b]pyridine
CID 170785545
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 170785546
[2-fluoro-5-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-5-azabicyclo[2.2.0]hexan-5-yl)methanone
CID 170785203
[3-[2-(6-tert-butylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 170785217
N-(2-hydroxyethyl)-4-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]pyridine-2-carboxamide
CID 170785503
[3-[2-(4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]phenyl]-(2-oxa-7-azaspiro[3.4]octan-7-yl)methanone
CID 170785480
(3,5-dimethylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785231
2-[4-[2-(2-methyl-4-methylsulfonylphenyl)furo[3,2-b]pyridin-7-yl]-2-pyridinyl]propan-2-ol
CID 170785473
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 170785587
[(3R)-3-methylmorpholin-4-yl]-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 170785322
(3-methylmorpholin-4-yl)-[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]methanone
CID 174249663

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine?
The IUPAC name of 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine (CID 170785489) is 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine?
The canonical SMILES for 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine is CS(=O)(=O)c1ccc(-c2cc3nccc(-c4ccnc(N5C[C@H]6C[C@@H]5CO6)c4)c3o2)cc1.
What is the InChIKey of 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine?
The InChIKey is WYCXNAVKAWPMOO-QZTJIDSGSA-N. The full InChI is InChI=1S/C24H21N3O4S/c1-32(28,29)19-4-2-15(3-5-19)22-12-21-24(31-22)20(7-9-25-21)16-6-8-26-23(10-16)27-13-18-11-17(27)14-30-18/h2-10,12,17-18H,11,13-14H2,1H3/t17-,18-/m1/s1.
What are the key properties of 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine?
2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine has a molecular weight of 447.52 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylphenyl)-7-[2-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]-4-pyridinyl]furo[3,2-b]pyridine is sourced from PubChem (CID 170785489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).